SCHEMBL9040862

SCHEMBL9040862

O=[N+]([O-])c1ccc2ncn(CCCCl)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
FGFR1 P11362 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
NAMPT P43490 1/20 0.43
XDH P47989 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
BRD4 O60885 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9039302 0.89 PKM (0.67) PKMFGFR1L3MBTL1MAPTLMNA
SCHEMBL19911383 0.88 LMNA (0.54) PKMFGFR1L3MBTL1MAPTLMNA
SCHEMBL19911394 0.87 FGFR1 (0.56) PKMFGFR1L3MBTL1MAPTLMNA
SCHEMBL7353128 0.85 PKM (0.65) PKMFGFR1L3MBTL1MAPTLMNA
SCHEMBL7030954 0.84 PKM (0.54) PKMFGFR1L3MBTL1MAPTCYP3A4
SCHEMBL19911402 0.84 PKM (0.54) PKMFGFR1L3MBTL1MAPTCYP3A4
SCHEMBL19911390 0.81 FGFR1 (0.56) PKMFGFR1L3MBTL1MAPTCYP3A4
SCHEMBL2847738 0.80 PKM (0.81) PKMFGFR1ALDH1A1HTT
SCHEMBL4918973 0.80 PKM (0.50) PKMFGFR1L3MBTL1MAPTCYP3A4
SCHEMBL7029418 0.80 PKM (0.62) PKMFGFR1MAPTALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed